Mixture of 1-Octanol + Pentanoic acid + Water

Name: 1-Octanol
InChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key: KBPLFHHGFOOTCA-UHFFFAOYSA-N
Formula: C8H18O
SMILES: CCCCCCCCO
Mol. Weight (g/mol): 130.23
CAS: 111-87-5

Name: Pentanoic acid
InChI: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChI Key: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Formula: C5H10O2
SMILES: CCCCC(=O)O
Mol. Weight (g/mol): 102.13
CAS: 109-52-4

Name: Water
InChI: InChI=1S/H2O/h1H2
InChI Key: XLYOFNOQVPJJNP-UHFFFAOYSA-N
Formula: H2O
SMILES: O
Mol. Weight (g/mol): 18.02
CAS: 7732-18-5

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Datasets

Mole fraction (4)

Mole fraction of Pentanoic acid (2) [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.1477	0.0000
0.1664	0.0499
0.1986	0.1531
0.2266	0.2145
0.2598	0.2815
0.2748	0.3314
0.3061	0.4006
0.3367	0.4441
0.3676	0.4717
0.3979	0.5097
0.4171	0.5282
0.4338	0.5346
0.4528	0.5386
0.4566	0.5404
0.4625	0.5375
0.9996	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Pentanoic acid (2) - Liquid mixture 2
0.9983	0.0013	0.1563	0.0850
0.9972	0.0025	0.2243	0.2162
0.9961	0.0036	0.2427	0.3215
0.9953	0.0045	0.2803	0.3822
0.9947	0.0051	0.2898	0.4337
0.9943	0.0055	0.3385	0.4477
0.9935	0.0064	0.3678	0.4884

Mole fraction of Pentanoic acid (2) [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1
0.1477	0.0000
0.1664	0.0499
0.1986	0.1531
0.2266	0.2145
0.2598	0.2815
0.2748	0.3314
0.3061	0.4006
0.3367	0.4441
0.3676	0.4717
0.3979	0.5097
0.4171	0.5282
0.4338	0.5346
0.4528	0.5386
0.4566	0.5404
0.4625	0.5375
0.9996	0.0000

Mole fraction [ref]

Operational conditions:

Temperature, K = 293.15 (Liquid mixture 1)
Pressure, kPa = 101.3 (Liquid mixture 1)

Fixed	Measured
Mole fraction of Water (3) - Liquid mixture 1	Mole fraction of Pentanoic acid (2) - Liquid mixture 1	Mole fraction of Water (3) - Liquid mixture 2	Mole fraction of Pentanoic acid (2) - Liquid mixture 2
0.9983	0.0013	0.1563	0.0850
0.9972	0.0025	0.2243	0.2162
0.9961	0.0036	0.2427	0.3215
0.9953	0.0045	0.2803	0.3822
0.9947	0.0051	0.2898	0.4337
0.9943	0.0055	0.3385	0.4477
0.9935	0.0064	0.3678	0.4884

Sources

Liquid-liquid equilibria for ternary systems of (water + carboxylic acid + 1-octanol) at 293.15 K: modeling phase equilibria using a solvatochromic approach